PrHo2Se3
Alexandria ALEXAlex-ID: agm038728656 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2988_spg70
PrHo4Se5 Pr2Ho3Se5
2025-03-07 12:17:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038728656).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm038728656
data_agm038728656
_cell_length_a 13.55193
_cell_length_b 12.91906
_cell_length_c 7.18073
_cell_angle_alpha 79.18615
_cell_angle_beta 69.45083
_cell_angle_gamma 31.36302
_cell_volume 596.25135
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.91547 0.91547 0.08453 1.00000
Pr2 Pr 0.33453 0.33453 0.16547 1.00000
Pr3 Pr 0.16547 0.16547 0.33453 1.00000
Pr4 Pr 0.08453 0.08453 0.91547 1.00000
Ho1 Ho 0.00284 0.00284 0.49716 1.00000
Ho2 Ho 0.41353 0.41353 0.58647 1.00000
Ho3 Ho 0.83647 0.83647 0.66353 1.00000
Ho4 Ho 0.24716 0.24716 0.75284 1.00000
Ho5 Ho 0.75284 0.75284 0.24716 1.00000
Ho6 Ho 0.66353 0.66353 0.83647 1.00000
Ho7 Ho 0.58647 0.58647 0.41353 1.00000
Ho8 Ho 0.49716 0.49716 0.00284 1.00000
Se1 Se 0.67190 0.16766 0.81506 1.00000
Se2 Se 0.16766 0.67190 0.34538 1.00000
Se3 Se 0.57810 0.08234 0.43494 1.00000
Se4 Se 0.08234 0.57810 0.90462 1.00000
Se5 Se 0.51499 0.98501 0.98501 1.00000
Se6 Se 0.98501 0.51499 0.51499 1.00000
Se7 Se 0.90462 0.43494 0.08234 1.00000
Se8 Se 0.43494 0.90462 0.57810 1.00000
Se9 Se 0.34538 0.81506 0.16766 1.00000
Se10 Se 0.81506 0.34538 0.67190 1.00000
Se11 Se 0.73501 0.26499 0.26499 1.00000
Se12 Se 0.26499 0.73501 0.73501 1.00000
